N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

C13H17N5O — CID 166944335

IUPACN-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESO=C(NCC1CCNCC1)C1=Nc2cncnc2C1
InChIInChI=1S/C13H17N5O/c19-13(16-6-9-1-3-14-4-2-9)11-5-10-12(18-11)7-15-8-17-10/h7-9,14H,1-6H2,(H,16,19)
InChIKeyMTPBXTKDZQSZLR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.22
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide

N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166944335) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
PubChem CID166944335
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
SMILESO=C(NCC1CCNCC1)C1=Nc2cncnc2C1
InChIInChI=1S/C13H17N5O/c19-13(16-6-9-1-3-14-4-2-9)11-5-10-12(18-11)7-15-8-17-10/h7-9,14H,1-6H2,(H,16,19)
InChIKeyMTPBXTKDZQSZLR-UHFFFAOYSA-N
XLogP0.22
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide (CID 166944335) is N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is O=C(NCC1CCNCC1)C1=Nc2cncnc2C1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is MTPBXTKDZQSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13(16-6-9-1-3-14-4-2-9)11-5-10-12(18-11)7-15-8-17-10/h7-9,14H,1-6H2,(H,16,19).
What are the key properties of N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide?
N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166944335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).